Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20068385 | 0.84 | BTK (0.39) | SMN1; SMN2TSHRKMT2APOLBBTK | |
| SCHEMBL1296457 | 0.74 | SMN1; SMN2 (0.49) | SMN1; SMN2TP53ALDH1A1HRH3BRD4 | |
| SCHEMBL10210925 | 0.74 | SMN1; SMN2 (0.49) | SMN1; SMN2TP53ALDH1A1HRH3BRD4 | |
| SCHEMBL20068369 | 0.71 | SMN1; SMN2 (0.38) | SMN1; SMN2TP53ALDH1A1HRH3BRD4 | |
| SCHEMBL4228795 | 0.67 | SMN1; SMN2 (0.42) | SMN1; SMN2TP53HRH3BRD4BTK | |
| SCHEMBL3646231 | 0.67 | SMN1; SMN2 (0.42) | SMN1; SMN2TP53HRH3BRD4BTK | |
| SCHEMBL3640335 | 0.67 | SMN1; SMN2 (0.42) | SMN1; SMN2TP53HRH3BRD4BTK | |
| SCHEMBL20068384 | 0.66 | TP53 (0.44) | SMN1; SMN2TP53ALDH1A1BRD4POLB | |
| SCHEMBL3643983 | 0.66 | CHRNB2 (0.48) | SMN1; SMN2TP53HRH3BRD4BTK | |
| SCHEMBL3643987 | 0.66 | CHRNB2 (0.48) | SMN1; SMN2TP53HRH3BRD4BTK |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018071314-A1 | TRICYCLIC SULFONES AS ROR GAMMA MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-04-19 | — | — | WO | disclosed |